0 B11R1.83 C#CC1=CC=C(CCC)C=C1 BTB09905 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.83 CCC1=CC=C(CNC)C=C1 MO00891 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.83 CNCC1=CC=C(OC)C=C1 MO00889 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.83 COC1=CC=C(N=C=S)C=C1 TL00326 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.83 N#CC1=CC=C(CCO)C=C1 TL00139 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.1 CCCC1=CN=C(Cl)N=C1 RJC02409 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.1 CNCC1=NC=C(Br)C=C1 MO07896 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.3 COC1=CC=C(C#N)C=N1 SPB04785 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 CD00356 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 RH01075 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.71 C#CC1=CC=C(CCCC)C=C1 BTB09904 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.71 CCCCC1=CC=C(C#N)C=C1 TL00747 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.71 CCCOC1=CC=C(C#N)C=C1 BTB09860 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 MO00894 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 SB01663 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.44 NCC1=CC=C2OCCC2=C1 CC00813 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CC00804 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.8 CNCC1=CC=CN=C1 TL00368 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 CNCC1=CC=NC=C1 MO00914 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.8 OCCC1=CC=CN=C1 KM09875 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SB00932 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.3088 COC(=O)C1=CC=C(OC)C(N)=C1 TL00302 [0,2,0,0,0,0|1,0,1]=4 33 B13R1.371 C#CC1=CC=C(OCCCC)C=C1 BTB09896 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.371 CCCCCC1=CC=C(C#N)C=C1 BTB12834 [0,2,0,0,0,0|2,0,0]=4 35 B13R1.140 CNCC1=CC=C(C(C)(C)C)C=C1 MO08598 [0,2,0,0,0,0|2,0,0]=4 36 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [1,0,0,1,0,0|2,0,0]=4 37 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [1,0,0,1,0,0|2,0,0]=4 38 B13R2.57 NCC1=CC2=C(C=C1)OCCC2 CC32813 [0,1,0,1,0,0|2,0,0]=4 39 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 CC32804 [0,1,0,1,0,0|2,0,0]=4 40 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 KM05976 [0,1,0,1,0,0|2,0,0]=4 41 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 CC01646 [0,1,0,1,0,0|1,0,0]=3 42 B13R2.449 ClCCC1=CC2=C(C=C1)OCO2 CC50824 [0,1,0,1,0,0|1,0,0]=3 43 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 CC50809 [0,1,0,1,0,0|1,0,0]=3 44 B9R1.7 CNCC1=CC(C)=CS1 CC30646 [1,0,0,0,1,0|2,0,0]=4 45 B9R1.7 CNCC1=CC=C(C)S1 CC65096 [1,0,0,0,1,0|2,0,0]=4